2-(3-ethanoylsulfanylpropanoyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-5-phenyl-2-pyrazoline-3-carboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-10(18)22-8-7-14(19)17-13(15(20)21)9-12(16-17)11-5-3-2-4-6-11/h2-6,13H,7-9H2,1H3,(H,20,21)